SCHEMBL9822245

SCHEMBL9822245

CC(O)c1nc2nc(C(=O)O)cc([S])n2n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
AURKA O14965 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
LTK P29376 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CDK8 P49336 1/20 0.30
CLK2 P49760 1/20 0.30
CDK5 Q00535 1/20 0.30
ACVR1 Q04771 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9822248 0.83 MEN1 (0.34) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL10407464 0.80 MEN1 (0.38) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL9822085 0.79 KMT2A (0.37) MEN1KMT2ATSHR
SCHEMBL10407378 0.75 KDM4E (0.38) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL9822230 0.75 HCAR2 (0.39) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL9822357 0.74
SCHEMBL10414519 0.74 SORD (0.38) MEN1KMT2ATSHR
SCHEMBL9822191 0.74 TSHR (0.34) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL10407780 0.72 ALDH1A1 (0.41) MEN1KMT2AALOX15TSHRHIF1A
SCHEMBL10407102 0.72 ALOX15 (0.33) MEN1KMT2AALOX15TSHRHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed